Abstract

It is demonstrated that the method of simulated annealing can be successfully used for constructing an algorithm for solving the self-consistent field or the more general multi-configuration self-consistent field problems. It is shown that the simulated annealing based calculations do not encounter any difficulty even when a pathological divergence cripples a first-order MC SCF method. Applicability of the simulated annealing based strategy in solving general nonlinear matrix equations even in the presence of strong coupling is demonstrated in a model problem.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.